4-[4-[[5-azanyl-4-(4-chlorophenyl)carbonyl-2-methyl-thiophen-3-yl]methyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[[5-azanyl-4-(4-chlorophenyl)carbonyl-2-methyl-thiophen-3-yl]methyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[[5-amino-4-(4-chlorobenzoyl)-2-methyl-3-thienyl]methyl]piperazin-1-yl]benzonitrile CAS Name: 4-[4-[[5-amino-4-[(4-chlorophenyl)-oxomethyl]-2-methyl-3-thiophenyl]methyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-[[5-amino-4-(4-chlorobenzoyl)-2-methylthiophen-3-yl]methyl]piperazin-1-yl]benzonitrile Traditional Name: 4-[4-[[5-amino-4-(4-chlorobenzoyl)-2-methyl-3-thienyl]methyl]piperazino]benzonitrile Formula: C24H23ClN4OS MolecularWeight: 450.98362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)N)C(=O)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C(=C(S1)N)C(=O)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H23ClN4OS/c1-16-21(22(24(27)31-16)23(30)18-4-6-19(25)7-5-18)15-28-10-12-29(13-11-28)20-8-2-17(14-26)3-9-20/h2-9H,10-13,15,27H2,1H3